| M9H | Name: | 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide | Formula: | C14 H22 N4 O2 | SMILES: | CNCC(=O)NCc1cccc(CNC(=O)CNC)c1 | InChi: | InChI=1S/C14H22N4O2/c1-15-9-13(19)17-7-11-4-3-5-12(6-11)8-18-14(20)10-16-2/h3-6,15-16H,7-10H2,1-2H3,(H,17,19)(H,18,20) | Definition date: | 2019-10-08 | Last modified: | 2024-09-27 | Release date: | 2020-01-29 | Identifier: | 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide |
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| M9P | Name: | amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium | Formula: | C7 H16 F3 N4 O | SMILES: | FC(F)(F)C(O)C(N)CCCNC(=[NH2+])N | InChi: | InChI=1S/C7H15F3N4O/c8-7(9,10)5(15)4(11)2-1-3-14-6(12)13/h4-5,15H,1-3,11H2,(H4,12,13,14)/p+1/t4-,5-/m0/s1 | Definition date: | 2013-09-18 | Last modified: | 2024-09-27 | Release date: | 2014-07-08 | Identifier: | amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium |
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| M9W | Name: | Enmetazobactam derived trans-enamine adduct | Formula: | C11 H17 N4 O6 S | SMILES: | C[n+]1ccn(C[C](C)([CH](NC=CC(O)=O)C(O)=O)[S](O)=O)n1 | InChi: | InChI=1S/C11H16N4O6S/c1-11(22(20)21,7-15-6-5-14(2)13-15)9(10(18)19)12-4-3-8(16)17/h3-6,9,12H,7H2,1-2H3,(H2-,16,17,18,19,20,21)/p+1/b4-3+/t9-,11-/m0/s1 | Synonyms: | (2S,3S)-3-methyl-4-(3-methyl-1,2,3-triazol-3-ium-1-yl)-2-[[(E)-3-oxidanylideneprop-1-enyl]amino]-3-sulfino-butanoic acid | Definition date: | 2019-10-10 | Last modified: | 2024-09-27 | Release date: | 2020-11-18 | Identifier: | (2~{S},3~{S})-3-methyl-4-(3-methyl-1,2,3-triazol-3-ium-1-yl)-2-[[(~{E})-3-oxidanyl-3-oxidanylidene-prop-1-enyl]amino]-3-sulfino-butanoic acid |
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| M9X | Name: | tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Formula: | C27 H39 N5 O7 | SMILES: | CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NC4CC4)C1=O | InChi: | InChI=1S/C27H39N5O7/c1-27(2,3)39-26(38)31-18-5-4-12-32(25(18)37)20(13-15-6-7-15)23(35)30-19(14-16-10-11-28-22(16)34)21(33)24(36)29-17-8-9-17/h4-5,12,15-17,19-21,33H,6-11,13-14H2,1-3H3,(H,28,34)(H,29,36)(H,30,35)(H,31,38)/t16-,19-,20-,21+/m0/s1 | Synonyms: | tert-butyl (1-((S)-3-cyclopropyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate | Definition date: | 2022-07-27 | Last modified: | 2024-09-27 | Release date: | 2023-08-16 | Identifier: | ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate |
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| 1PA | Name: | 4-(carboxymethyl)-L-phenylalanine | Formula: | C11 H13 N O4 | SMILES: | O=C(O)C(N)Cc1ccc(cc1)CC(=O)O | InChi: | InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1 | Synonyms: | p-(carboxymethyl)phenylalanine | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 4-(carboxymethyl)-L-phenylalanine |
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| MAA | Name: | N-methyl-L-alanine | Formula: | C4 H9 N O2 | SMILES: | O=C(O)C(NC)C | InChi: | InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | N-methyl-L-alanine |
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| 1PN | Name: | prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate | Formula: | C13 H17 N O5 S | SMILES: | O=C(OCC=C)C1=CSC(N1)C(C=O)C(OC(=O)C)C | InChi: | InChI=1S/C13H17NO5S/c1-4-5-18-13(17)11-7-20-12(14-11)10(6-15)8(2)19-9(3)16/h4,6-8,10,12,14H,1,5H2,2-3H3/t8-,10-,12+/m1/s1 | Synonyms: | "(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE, Bound form" | Definition date: | 1999-12-02 | Last modified: | 2024-09-27 | Identifier: | prop-2-en-1-yl (2S)-2-[(2S,3R)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate |
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| MAF | Name: | 2-deoxy-2-fluoro-alpha-D-mannopyranose | Formula: | C6 H11 F O5 | SMILES: | FC1C(O)C(O)C(OC1O)CO | InChi: | InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1 | Synonyms: | 2-DEOXY-2-FLUORO-ALPHA-D-MANNOSE | Definition date: | 2002-02-28 | Last modified: | 2024-09-27 | Identifier: | 2-deoxy-2-fluoro-alpha-D-mannopyranose |
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| MAH | Name: | 3-HYDROXY-3-METHYL-GLUTARIC ACID | Formula: | C6 H10 O5 | SMILES: | O=C(O)CC(O)(C)CC(=O)O | InChi: | InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) | Definition date: | 2000-01-12 | Last modified: | 2024-09-27 | Identifier: | 3-hydroxy-3-methylpentanedioic acid |
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| MAN | Name: | alpha-D-mannopyranose | Formula: | C6 H12 O6 | SMILES: | OC1C(O)C(OC(O)C1O)CO | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1 | Synonyms: | alpha-D-mannose | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | alpha-D-mannopyranose |
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| MAO | Name: | 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE | Formula: | C13 H21 N7 O4 | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCON)C)N | InChi: | InChI=1S/C13H21N7O4/c1-19(2-3-23-15)4-7-9(21)10(22)13(24-7)20-6-18-8-11(14)16-5-17-12(8)20/h5-7,9-10,13,21-22H,2-4,15H2,1H3,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1 | Definition date: | 2001-03-12 | Last modified: | 2024-09-27 | Identifier: | 5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxyadenosine |
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| MA | Name: | METHYL L-ALANINATE | Formula: | C4 H9 N O2 | SMILES: | O=C(OC)C(N)C | InChi: | InChI=1S/C4H9NO2/c1-3(5)4(6)7-2/h3H,5H2,1-2H3/t3-/m0/s1 | Definition date: | 2008-07-10 | Last modified: | 2024-09-27 | Identifier: | methyl L-alaninate |
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| MAY | Name: | METHYL ARACHIDONYL FLUOROPHOSPHONATE | Formula: | C21 H36 F O2 P | SMILES: | FP(=O)(OC)CCCCC=C/CC=C/CC=C/CC=C/CCCCC | InChi: | InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1 | Synonyms: | MAFP | Definition date: | 2002-10-01 | Last modified: | 2024-09-27 | Identifier: | methyl (S)-(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate |
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| MAZ | Name: | FORMIC ACID 3-AMINO-BENZYL ESTER | Formula: | C8 H9 N O3 | SMILES: | O=COCc1cc(N)ccc1 | InChi: | InChI=1S/C8H9NO3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11) | Synonyms: | META-AMINO BENZYLOCARBONYL | Definition date: | 2001-09-21 | Last modified: | 2024-09-27 | Identifier: | 3-aminobenzyl formate |
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| 1QI | Name: | (2R,4S,5S)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid | Formula: | C15 H23 N O3 | SMILES: | CC(C)[CH](N)[CH](O)C[CH](Cc1ccccc1)C(O)=O | InChi: | InChI=1S/C15H23NO3/c1-10(2)14(16)13(17)9-12(15(18)19)8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,16H2,1-2H3,(H,18,19)/t12-,13+,14+/m1/s1 | Definition date: | 2021-06-14 | Last modified: | 2024-09-27 | Release date: | 2021-08-11 | Identifier: | (2~{R},4~{S},5~{S})-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid |
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| MB8 | Name: | (2Z)-2-methylbut-2-enoic acid | Formula: | C5 H8 O2 | SMILES: | O=C(O)C(=C/C)C | InChi: | InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3- | Definition date: | 2012-09-21 | Last modified: | 2024-09-27 | Release date: | 2014-05-07 | Identifier: | (2Z)-2-methylbut-2-enoic acid |
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| 1QL | Name: | (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C16 H19 N3 O7 S2 | SMILES: | O=CC(OC)(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)COC(=O)N | InChi: | InChI=1S/C16H19N3O7S2/c1-25-16(8-20,19-11(21)5-10-3-2-4-27-10)14-18-12(13(22)23)9(7-28-14)6-26-15(17)24/h2-4,8,14,18H,5-7H2,1H3,(H2,17,24)(H,19,21)(H,22,23)/t14-,16+/m1/s1 | Synonyms: | Cefoxitin, bound form | Definition date: | 2013-04-26 | Last modified: | 2024-09-27 | Release date: | 2018-09-12 | Identifier: | (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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| MBD | Name: | 3-METHYLCATECHOL | Formula: | C7 H8 O2 | SMILES: | Oc1c(cccc1O)C | InChi: | InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 | Synonyms: | 3-METHYL-BENZENE-1,2-DIOL | Definition date: | 2001-12-19 | Last modified: | 2024-09-27 | Identifier: | 3-methylbenzene-1,2-diol |
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| 1QQ | Name: | (3S)-3-methyl-2-oxopentanoic acid | Formula: | C6 H10 O3 | SMILES: | O=C(C(=O)O)C(C)CC | InChi: | InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1 | Definition date: | 2011-03-25 | Last modified: | 2024-09-27 | Identifier: | (3S)-3-methyl-2-oxopentanoic acid |
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| 1QX | Name: | dodecyl hydrogen (S)-(3-azidopropyl)phosphonate | Formula: | C15 H32 N3 O3 P | SMILES: | [N-]=[N+]=NCCCP(=O)(OCCCCCCCCCCCC)O | InChi: | InChI=1S/C15H32N3O3P/c1-2-3-4-5-6-7-8-9-10-11-14-21-22(19,20)15-12-13-17-18-16/h2-15H2,1H3,(H,19,20) | Definition date: | 2013-05-01 | Last modified: | 2024-09-27 | Release date: | 2013-09-18 | Identifier: | dodecyl hydrogen (S)-(3-azidopropyl)phosphonate |
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| 1QY | Name: | tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate | Formula: | C17 H36 N3 O3 P | SMILES: | [N-]=[N+]=NCCCP(=O)(OCCCCCCCCCCCCCC)O | InChi: | InChI=1S/C17H36N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-24(21,22)17-14-15-19-20-18/h2-17H2,1H3,(H,21,22) | Definition date: | 2013-05-01 | Last modified: | 2024-09-27 | Release date: | 2013-09-18 | Identifier: | tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate |
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| 1R1 | Name: | hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate | Formula: | C19 H40 N3 O3 P | SMILES: | [N-]=[N+]=NCCCP(=O)(OCCCCCCCCCCCCCCCC)O | InChi: | InChI=1S/C19H40N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-26(23,24)19-16-17-21-22-20/h2-19H2,1H3,(H,23,24) | Definition date: | 2013-05-02 | Last modified: | 2024-09-27 | Release date: | 2013-09-18 | Identifier: | hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate |
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| MBQ | Name: | 2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE | Formula: | C20 H22 N2 O6 | SMILES: | O=C(O)C(N)Cc2c(O)cc(O)c(NC(=CC=O)COc1ccc(cc1)C)c2 | InChi: | InChI=1S/C20H22N2O6/c1-12-2-4-15(5-3-12)28-11-14(6-7-23)22-17-9-13(8-16(21)20(26)27)18(24)10-19(17)25/h2-7,9-10,16,22,24-25H,8,11,21H2,1H3,(H,26,27)/b14-6+/t16-/m0/s1 | Definition date: | 2004-03-04 | Last modified: | 2024-09-27 | Identifier: | 2-hydroxy-5-({(1E)-1-[(4-methylphenoxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine |
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| 1R3 | Name: | N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Formula: | C21 H45 N2 O9 P S | SMILES: | O=C(NCCCS(O)(O)CCCCCCCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O | InChi: | InChI=1S/C21H45N2O9PS/c1-4-5-6-7-8-9-10-15-34(30,31)16-11-13-22-18(24)12-14-23-20(26)19(25)21(2,3)17-32-33(27,28)29/h19,25,30-31H,4-17H2,1-3H3,(H,22,24)(H,23,26)(H2,27,28,29)/t19-/m0/s1 | Definition date: | 2013-05-02 | Last modified: | 2024-09-27 | Release date: | 2013-12-25 | Identifier: | N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide |
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| 1RG | Name: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid | Formula: | C22 H27 N3 O7 S | SMILES: | O=C(O)c1cc(ccc1)NC(=O)C3NCC(SC2=C(C(=O)O)NC(C2C)C(C=O)C(O)C)C3 | InChi: | InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,23,25,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-/m1/s1 | Synonyms: | ERTAPENEM, bound form PRE-ISOMERIZED | Definition date: | 2009-10-19 | Last modified: | 2024-09-27 | Identifier: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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